Methyl 4-cyano-5-(2,2-diphenylacetamido)-3-methylthiophene-2-carboxylate
TL;DR: Methyl 4-cyano-5-(2,2-diphenylacetamido)-3-methylthiophene-2-carboxylate (CAS 445416-41-1) is a chemical compound with molecular formula C22H18N2O3S and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-cyano-5-[(2,2-diphenylacetyl)amino]-3-methylthiophene-2-carboxylate
Also Known As: BAS 06856590, AN-465/41078982, methyl 4-cyano-5-(2,2-diphenylacetamido)-3-methylthiophene-2-carboxylate, methyl 4-cyano-5-[(diphenylacetyl)amino]-3-methyl-2-thiophenecarboxylate, methyl 4-cyano-5-[(diphenylacetyl)amino]-3-methylthiophene-2-carboxylate
| Molecular Formula | C22H18N2O3S |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 4.4854 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.10382 |
| Heavy Atoms | 28 |
| Complexity | 997.39386 |
Chemical Identifiers
| CAS Number | 445416-41-1 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC |
Product Overview
Methyl 4-cyano-5-(2,2-diphenylacetamido)-3-methylthiophene-2-carboxylate (CAS 445416-41-1), with molecular formula C22H18N2O3S and molecular weight 390.10 g/mol. IUPAC: methyl 4-cyano-5-[(2,2-diphenylacetyl)amino]-3-methylthiophene-2-carboxylate.
Chemical Property Profile of Methyl 4-cyano-5-(2,2-diphenylacetamido)-3-methylthiophene-2-carboxylate
Property Insights of Methyl 4-cyano-5-(2,2-diphenylacetamido)-3-methylthiophene-2-carboxylate
The XLogP value of 4.4854 indicates that Methyl 4-cyano-5-(2,2-diphenylacetamido)-3-methylthiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-cyano-5-(2,2-diphenylacetamido)-3-methylthiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 4-cyano-5-(2,2-diphenylacetamido)-3-methylthiophene-2-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-cyano-5-(2,2-diphenylacetamido)-3-methylthiophene-2-carboxylate?
The CAS number of Methyl 4-cyano-5-(2,2-diphenylacetamido)-3-methylthiophene-2-carboxylate is 445416-41-1.
What is the molecular formula of Methyl 4-cyano-5-(2,2-diphenylacetamido)-3-methylthiophene-2-carboxylate?
The molecular formula of Methyl 4-cyano-5-(2,2-diphenylacetamido)-3-methylthiophene-2-carboxylate is C22H18N2O3S.
What is the molecular weight of Methyl 4-cyano-5-(2,2-diphenylacetamido)-3-methylthiophene-2-carboxylate?
The molecular weight of Methyl 4-cyano-5-(2,2-diphenylacetamido)-3-methylthiophene-2-carboxylate is 390.10 g/mol.
Where can I buy Methyl 4-cyano-5-(2,2-diphenylacetamido)-3-methylthiophene-2-carboxylate?
You can request a quote for Methyl 4-cyano-5-(2,2-diphenylacetamido)-3-methylthiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-cyano-5-(2,2-diphenylacetamido)-3-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-cyano-5-(2,2-diphenylacetamido)-3-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.